(E)-1-(1-adamantyl)-3-(3-phenylmethoxyphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(1-adamantyl)-3-(3-phenylmethoxyphenyl)prop-2-en-1-one Openeye Name: (E)-1-(1-adamantyl)-3-(3-benzyloxyphenyl)prop-2-en-1-one CAS Name: (E)-1-(1-adamantyl)-3-(3-phenylmethoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-(1-adamantyl)-3-(3-phenylmethoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-(1-adamantyl)-3-(3-benzoxyphenyl)prop-2-en-1-one Formula: C26H28O2 MolecularWeight: 372.49932

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C=CC4=CC(=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)/C=C/C4=CC(=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C26H28O2/c27-25(26-15-21-11-22(16-26)13-23(12-21)17-26)10-9-19-7-4-8-24(14-19)28-18-20-5-2-1-3-6-20/h1-10,14,21-23H,11-13,15-18H2/b10-9+